Update README.md for installation using package managers

rlabduke / reduce

Reduce - tool for adding and correcting hydrogens in PDB files

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Closed eunos-1128 closed 3 months ago

eunos-1128 commented 3 months ago

Hi,

Sorry for going without permission, but I have registered the latest version v4.14 on bioconda.

I have updated the README and would be happy to merge it in if you would like.

Regards,

eunos-1128 commented 3 months ago

@russell-taylor

I found that libboost-python-devel is needed for build from reduce_src/CMakeLists.txt.

a number of other repositories (libblast, libboost, libboost-python, libcblas, libgfortran-ng libgfortran5, liplapack, libopenblas, and numpy)

Those dependencies seem to come from libboost-python-devel.

Is libboost-python not necessary?

If so I will upload new build to bioconda without libboost-python-devel.

eunos-1128 commented 3 months ago

Or libboost-python is needed only on build?

Building itself succeeded without libboost-python-devel, though.

russell-taylor commented 3 months ago

I see!

The boost-python is needed only when building Python wrappers for the library, which the C++ program does not need.

eunos-1128 commented 3 months ago

@russell-taylor

Building Reduce according to reduce/CMakeLists.txt does not require boost-python, does it?

I will remake the conda package recipe to submit updated one without boost-python as dependency to bioconda.

eunos-1128 commented 3 months ago

I submitted updated one to bioconda.

eunos-1128 commented 3 months ago

Reduce on bioconda has been updated.

It has less dependencies because of dropping libboost-python-devel.

eunos-1128 commented 3 months ago

I added reduce's formula to homebrew/linuxbrew formulae.

Now brew install reduce is also available.

russell-taylor commented 3 months ago

Thank you for making it easier to get reduce!